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69595-64-8

69595-64-8 | Benzenemethanamine,N,N'-(methylenedi-4,1-phenylene)bis[N-(phenylmethyl)- (9CI)

CAS No: 69595-64-8 Catalog No: AG005K2D MDL No:

Product Description

Catalog Number:
AG005K2D
Chemical Name:
Benzenemethanamine,N,N'-(methylenedi-4,1-phenylene)bis[N-(phenylmethyl)- (9CI)
CAS Number:
69595-64-8
Molecular Formula:
C41H38N2
Molecular Weight:
558.7538
IUPAC Name:
N,N-dibenzyl-4-[[4-(dibenzylamino)phenyl]methyl]aniline
InChI:
InChI=1S/C41H38N2/c1-5-13-36(14-6-1)30-42(31-37-15-7-2-8-16-37)40-25-21-34(22-26-40)29-35-23-27-41(28-24-35)43(32-38-17-9-3-10-18-38)33-39-19-11-4-12-20-39/h1-28H,29-33H2
InChI Key:
KXHTVRFSFOPBFV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN(c1ccc(cc1)Cc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
EC Number:
274-054-0

Properties

Complexity:
623  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.303g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.769g/mol
Monoisotopic Mass:
558.303g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1  

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